(4-nitrophenyl)methyl 4-ethanoylsulfanyl-2-[[1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]-oxidanyl-methyl]pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 4-ethanoylsulfanyl-2-[[1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]-oxidanyl-methyl]pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-[hydroxy-[1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]methyl]pyrrolidine-1-carboxylate CAS Name: 4-(acetylthio)-2-[hydroxy-[1-[(4-nitrophenyl)methoxy-oxomethyl]-3-pyrrolidinyl]methyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-[hydroxy-[1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]methyl]pyrrolidine-1-carboxylate Traditional Name: 4-(acetylthio)-2-[hydroxy-[1-(4-nitrobenzyl)oxycarbonylpyrrolidin-3-yl]methyl]pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C27H30N4O10S MolecularWeight: 602.6129

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(C3CCN(C3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])O

Isomeric SMILES

CC(=O)SC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(C3CCN(C3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])O

InChI

InChI=1S/C27H30N4O10S/c1-17(32)42-23-12-24(29(14-23)27(35)41-16-19-4-8-22(9-5-19)31(38)39)25(33)20-10-11-28(13-20)26(34)40-15-18-2-6-21(7-3-18)30(36)37/h2-9,20,23-25,33H,10-16H2,1H3